5-(cyclopentylcarbamoyl)thiadiazole-4-carboxylic acid

C9H11N3O3S — CID 117214718

IUPAC5-(cyclopentylcarbamoyl)thiadiazole-4-carboxylic acid
SMILESO=C(O)c1nnsc1C(=O)NC1CCCC1
InChIInChI=1S/C9H11N3O3S/c13-8(10-5-3-1-2-4-5)7-6(9(14)15)11-12-16-7/h5H,1-4H2,(H,10,13)(H,14,15)
InChIKeyXCAONRHYTRWINX-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.91
Rot. Bonds3

About 5-(cyclopentylcarbamoyl)thiadiazole-4-carboxylic acid

5-(cyclopentylcarbamoyl)thiadiazole-4-carboxylic acid (PubChem CID 117214718) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 5-(cyclopentylcarbamoyl)thiadiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopentylcarbamoyl)thiadiazole-4-carboxylic acid
PubChem CID117214718
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name5-(cyclopentylcarbamoyl)thiadiazole-4-carboxylic acid
SMILESO=C(O)c1nnsc1C(=O)NC1CCCC1
InChIInChI=1S/C9H11N3O3S/c13-8(10-5-3-1-2-4-5)7-6(9(14)15)11-12-16-7/h5H,1-4H2,(H,10,13)(H,14,15)
InChIKeyXCAONRHYTRWINX-UHFFFAOYSA-N
XLogP0.91
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylcarbamoyl)thiadiazole-4-carboxylic acid?
The IUPAC name of 5-(cyclopentylcarbamoyl)thiadiazole-4-carboxylic acid (CID 117214718) is 5-(cyclopentylcarbamoyl)thiadiazole-4-carboxylic acid.
What is the SMILES notation for 5-(cyclopentylcarbamoyl)thiadiazole-4-carboxylic acid?
The canonical SMILES for 5-(cyclopentylcarbamoyl)thiadiazole-4-carboxylic acid is O=C(O)c1nnsc1C(=O)NC1CCCC1.
What is the InChIKey of 5-(cyclopentylcarbamoyl)thiadiazole-4-carboxylic acid?
The InChIKey is XCAONRHYTRWINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c13-8(10-5-3-1-2-4-5)7-6(9(14)15)11-12-16-7/h5H,1-4H2,(H,10,13)(H,14,15).
What are the key properties of 5-(cyclopentylcarbamoyl)thiadiazole-4-carboxylic acid?
5-(cyclopentylcarbamoyl)thiadiazole-4-carboxylic acid has a molecular weight of 241.27 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylcarbamoyl)thiadiazole-4-carboxylic acid is sourced from PubChem (CID 117214718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).